COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.852  -1.888   2.309  1.00  0.00          Cl  
HETATM    2  C   UNL     1       0.081   1.207  -1.134  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.473   2.446  -0.480  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.415   3.176  -1.109  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.953   4.381  -0.473  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.975   5.168   0.361  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.071   2.786   0.613  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.021   5.166  -1.237  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.409   4.343  -0.006  1.00  0.00           C  
HETATM   10  N   UNL     1       0.278   5.098   0.114  1.00  0.00           N  
HETATM   11  N   UNL     1       1.087   0.587  -0.260  1.00  0.00           N  
HETATM   12  C   UNL     1       0.652  -0.784   0.064  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.887  -0.764  -0.113  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.046   0.173  -1.339  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.521  -2.424  -0.476  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.271  -2.266  -0.339  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.849  -2.029   0.895  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.223  -1.904   1.002  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.016  -2.016  -0.124  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.438  -2.253  -1.358  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.065  -2.373  -1.466  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.305  -2.753  -1.842  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.169  -3.330   0.560  1.00  0.00           O  
HETATM   24  C   UNL     1       2.221   1.174   0.173  1.00  0.00           C  
HETATM   25  O   UNL     1       2.489   2.305  -0.174  1.00  0.00           O  
HETATM   26  C   UNL     1       3.487   1.069   2.437  1.00  0.00           C  
HETATM   27  C   UNL     1       3.155   0.426   1.089  1.00  0.00           C  
HETATM   28  C   UNL     1       2.567  -0.153   2.378  1.00  0.00           C  
HETATM   29  C   UNL     1       6.569  -0.771   0.010  1.00  0.00           C  
HETATM   30  C   UNL     1       6.240  -1.804  -0.848  1.00  0.00           C  
HETATM   31  C   UNL     1       4.914  -2.116  -1.079  1.00  0.00           C  
HETATM   32  C   UNL     1       3.915  -1.394  -0.452  1.00  0.00           C  
HETATM   33  C   UNL     1       4.243  -0.361   0.406  1.00  0.00           C  
HETATM   34  C   UNL     1       5.570  -0.049   0.637  1.00  0.00           C  
HETATM   35  C   UNL     1       7.329  -2.591  -1.531  1.00  0.00           C  
HETATM   36  H   UNL     1       0.531   1.463  -2.093  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.736   2.904  -1.983  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.332   5.792   1.168  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.017   6.251  -1.136  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.324   4.786  -2.212  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.967   3.421  -0.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.660   4.887   0.905  1.00  0.00           H  
HETATM   43  H   UNL     1       0.908   5.604   0.651  1.00  0.00           H  
HETATM   44  H   UNL     1       1.104  -1.498  -0.624  1.00  0.00           H  
HETATM   45  H   UNL     1       0.912  -1.031   1.094  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.376  -0.344   0.766  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.022   0.659  -1.329  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.900  -0.379  -2.268  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.676  -1.720   1.965  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.089  -1.919  -0.041  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.058  -2.341  -2.237  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.613  -2.554  -2.430  1.00  0.00           H  
HETATM   53  H   UNL     1       4.494   0.922   2.830  1.00  0.00           H  
HETATM   54  H   UNL     1       3.031   2.033   2.662  1.00  0.00           H  
HETATM   55  H   UNL     1       2.968  -1.102   2.732  1.00  0.00           H  
HETATM   56  H   UNL     1       1.505   0.008   2.564  1.00  0.00           H  
HETATM   57  H   UNL     1       7.605  -0.530   0.194  1.00  0.00           H  
HETATM   58  H   UNL     1       4.657  -2.923  -1.749  1.00  0.00           H  
HETATM   59  H   UNL     1       2.878  -1.637  -0.633  1.00  0.00           H  
HETATM   60  H   UNL     1       5.827   0.758   1.307  1.00  0.00           H  
HETATM   61  H   UNL     1       7.610  -3.440  -0.909  1.00  0.00           H  
HETATM   62  H   UNL     1       6.967  -2.950  -2.495  1.00  0.00           H  
HETATM   63  H   UNL     1       8.198  -1.950  -1.686  1.00  0.00           H  
CONECT    1   17                                                      
CONECT    2    3   11   14   36                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5   37                                            
CONECT    5    4    6    8    9                                       
CONECT    6    5   10   10   38                                       
CONECT    7    3    3                                                 
CONECT    8    5    9   39   40                                       
CONECT    9    5    8   41   42                                       
CONECT   10    6    6   43                                            
CONECT   11    2   12   24                                            
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   15   46                                       
CONECT   14    2   13   47   48                                       
CONECT   15   13   16   22   22                                       
CONECT   15   23   23                                                 
CONECT   16   15   17   17   21                                       
CONECT   17    1   16   16   18                                       
CONECT   18   17   19   19   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   16   20   20   52                                       
CONECT   22   15   15                                                 
CONECT   23   15   15                                                 
CONECT   24   11   25   25   27                                       
CONECT   25   24   24                                                 
CONECT   26   27   28   53   54                                       
CONECT   27   24   26   28   33                                       
CONECT   28   26   27   55   56                                       
CONECT   29   30   30   34   57                                       
CONECT   30   29   29   31   35                                       
CONECT   31   30   32   32   58                                       
CONECT   32   31   31   33   59                                       
CONECT   33   27   32   34   34                                       
CONECT   34   29   33   33   60                                       
CONECT   35   30   61   62   63                                       
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
